Molecule

3-Aminodihydro-2(3H)-furanone; (S)-form, N-Octanoyl

AlkaPlorer ID: AK285021

Synonym: N-Octanoylhomoserine lactone, C8-HSL

IUPAC Name: N-(2-oxooxolan-3-yl)octanamide

SMILES: CCCCCCCC(O)=NC1CCOC1=O

InChI: InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)

InChIKey: JKEJEOJPJVRHMQ-UHFFFAOYSA-N

PubChem CID: 3474204

CAS: 106983-30-6

LOTUS: LTS0190731

COCONUT: CNP0423035.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Sinorhizobium meliloti	Sinorhizobium	Rhizobiaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria
Agrobacterium vitis	Agrobacterium	Rhizobiaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria
None	Nitrosomonas	Nitrosomonadaceae	Nitrosomonadales	Betaproteobacteria	Pseudomonadota	None	Bacteria
Rhizobium leguminosarum	Rhizobium	Rhizobiaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 227.304

TPSA？: 58.89000000000001

MolLogP？: 2.618900000000001

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT008077	CCCCCCCC(=O)NC1CCOC1=O>>CCCCCCCC(=O)NC(CCO)C(=O)O	enzymemap_52170
AKRT008078	CCCCCCCC(=O)NC1CCOC1=O>>CCCCCCCC(=O)O	enzymemap_78275
AKRT008079	CCCCCCCC(=O)NC1CCOC1=O>>CCCCCCCC(=O)O.N[C@H]1CCOC1=O	None
AKRT008080	CCCCCCCC(=O)NC1CCOC1=O>>NC1CCOC1=O	enzymemap_78275
AKRT008081	CCCCCCCC(=O)NC1CCOC1=O>>N[C@H]1CCOC1=O	enzymemap_78295